2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide

C13H17N3O2 — CID 82099388

IUPAC2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C)ccc(C#N)c1=O
InChIInChI=1S/C13H17N3O2/c1-4-15(5-2)12(17)9-16-10(3)6-7-11(8-14)13(16)18/h6-7H,4-5,9H2,1-3H3
InChIKeyZKMCFGSFTOICRW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.90
Rot. Bonds4

About 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide

2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide (PubChem CID 82099388) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
PubChem CID82099388
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C)ccc(C#N)c1=O
InChIInChI=1S/C13H17N3O2/c1-4-15(5-2)12(17)9-16-10(3)6-7-11(8-14)13(16)18/h6-7H,4-5,9H2,1-3H3
InChIKeyZKMCFGSFTOICRW-UHFFFAOYSA-N
XLogP0.90
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide
CID 107072952
2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide
CID 110688830
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methylacetamide
CID 82099506
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
CID 107073295
1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 106439931
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
ethyl 4-[(3-cyano-6-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 82099457
ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate
CID 173376688
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
CID 107072857
N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide
CID 82099380
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-pyridin-2-ylacetamide
CID 82099517
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-(2-fluorophenyl)acetamide
CID 82099362

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide?
The IUPAC name of 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide (CID 82099388) is 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(C)ccc(C#N)c1=O.
What is the InChIKey of 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide?
The InChIKey is ZKMCFGSFTOICRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-15(5-2)12(17)9-16-10(3)6-7-11(8-14)13(16)18/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide?
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide has a molecular weight of 247.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide is sourced from PubChem (CID 82099388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).